Glycoside
GD135624
Name:
3,4,5-trihydroxy-6-[(6-{4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-octahydro-1H-inden-1-yl}-2,3-dimethylhept-4-en-2-yl)oxy]oxane-2-carboxylic acidFormula:
C34H52O8Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)(C)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54839
Formula: C28H44O2
Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)(C)O| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.66 | Num_heavy_atoms: | 30 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
